Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:41:21 UTC
Update Date2022-03-07 02:52:51 UTC
HMDB IDHMDB0031159
Secondary Accession Numbers
  • HMDB31159
Metabolite Identification
Common NameGarcinia acid
Description1,2-dihydroxypropane-1,2,3-tricarboxylic acid belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Based on a literature review very few articles have been published on 1,2-dihydroxypropane-1,2,3-tricarboxylic acid.
Structure
Data?1563862089
Synonyms
ValueSource
1,2-Dihydroxypropane-1,2,3-tricarboxylateGenerator
(-)-Hydroxycitric acidHMDB
(1S,2S)-1,2-Dihydroxypropane-1,2,3-tricarboxylic acidHMDB
1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 8ciHMDB
D-erythro-FormHMDB
HydroxycitrateHMDB, MeSH
Hydroxycitric acidHMDB
Super citrimax hca 600SXSHMDB
HAES CPDMeSH, HMDB
Hydroxycitric acid, trisodium salt, (erythro-(+-))-isomerMeSH, HMDB
Hydroxycitric acid, sodium saltMeSH, HMDB
Hydroxycitric acid, threo-(D)-isomerMeSH, HMDB
Hydroxycitric acid, threo-(L)-isomerMeSH, HMDB
(+)-Allohydroxycitric acidMeSH, HMDB
Allo-2-hydroxycitric acidMeSH, HMDB
Garcinia acidMeSH
Hibiscus acidMeSH, HMDB
Hydroxycitric acid ethylenediamine saltMeSH, HMDB
Hydroxycitric acid, erythro-(D)-isomerMeSH, HMDB
Hydroxycitric acid, trisodium saltMeSH, HMDB
Chemical FormulaC6H8O8
Average Molecular Weight208.1229
Monoisotopic Molecular Weight208.021917232
IUPAC Name1,2-dihydroxypropane-1,2,3-tricarboxylic acid
Traditional Namehydroxycitric acid
CAS Registry Number27750-10-3
SMILES
OC(C(O)=O)C(O)(CC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChI KeyZMJBYMUCKBYSCP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassTricarboxylic acids and derivatives
Direct ParentTricarboxylic acids and derivatives
Alternative Parents
Substituents
  • Tricarboxylic acid or derivatives
  • Beta-hydroxy acid
  • Monosaccharide
  • Hydroxy acid
  • Alpha-hydroxy acid
  • Tertiary alcohol
  • Secondary alcohol
  • 1,2-diol
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility197 g/LALOGPS
logP-1.5ALOGPS
logP-2ChemAxon
logS-0.02ALOGPS
pKa (Strongest Acidic)2.9ChemAxon
pKa (Strongest Basic)-4.4ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area152.36 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity36.96 m³·mol⁻¹ChemAxon
Polarizability16.08 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+145.43931661259
DarkChem[M-H]-139.10231661259
DeepCCS[M+H]+131.95130932474
DeepCCS[M-H]-129.130932474
DeepCCS[M-2H]-165.53930932474
DeepCCS[M+Na]+141.02930932474
AllCCS[M+H]+144.032859911
AllCCS[M+H-H2O]+140.332859911
AllCCS[M+NH4]+147.432859911
AllCCS[M+Na]+148.332859911
AllCCS[M-H]-134.232859911
AllCCS[M+Na-2H]-135.132859911
AllCCS[M+HCOO]-136.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Garcinia acidOC(C(O)=O)C(O)(CC(O)=O)C(O)=O2972.6Standard polar33892256
Garcinia acidOC(C(O)=O)C(O)(CC(O)=O)C(O)=O1269.7Standard non polar33892256
Garcinia acidOC(C(O)=O)C(O)(CC(O)=O)C(O)=O1828.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Garcinia acid,1TMS,isomer #1C[Si](C)(C)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O1813.5Semi standard non polar33892256
Garcinia acid,1TMS,isomer #2C[Si](C)(C)OC(=O)C(O)C(O)(CC(=O)O)C(=O)O1787.5Semi standard non polar33892256
Garcinia acid,1TMS,isomer #3C[Si](C)(C)OC(CC(=O)O)(C(=O)O)C(O)C(=O)O1826.5Semi standard non polar33892256
Garcinia acid,1TMS,isomer #4C[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O)C(=O)O1795.3Semi standard non polar33892256
Garcinia acid,1TMS,isomer #5C[Si](C)(C)OC(=O)C(O)(CC(=O)O)C(O)C(=O)O1768.1Semi standard non polar33892256
Garcinia acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O1847.2Semi standard non polar33892256
Garcinia acid,2TMS,isomer #10C[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C)C(O)C(=O)O1794.2Semi standard non polar33892256
Garcinia acid,2TMS,isomer #2C[Si](C)(C)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O1892.3Semi standard non polar33892256
Garcinia acid,2TMS,isomer #3C[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O[Si](C)(C)C)C(=O)O1834.1Semi standard non polar33892256
Garcinia acid,2TMS,isomer #4C[Si](C)(C)OC(=O)C(O)(CC(=O)O)C(O[Si](C)(C)C)C(=O)O1823.2Semi standard non polar33892256
Garcinia acid,2TMS,isomer #5C[Si](C)(C)OC(=O)C(O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O1853.8Semi standard non polar33892256
Garcinia acid,2TMS,isomer #6C[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O)C(=O)O[Si](C)(C)C1816.2Semi standard non polar33892256
Garcinia acid,2TMS,isomer #7C[Si](C)(C)OC(=O)C(O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C1794.9Semi standard non polar33892256
Garcinia acid,2TMS,isomer #8C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O)C(O)C(=O)O1851.1Semi standard non polar33892256
Garcinia acid,2TMS,isomer #9C[Si](C)(C)OC(=O)C(CC(=O)O)(O[Si](C)(C)C)C(O)C(=O)O1821.3Semi standard non polar33892256
Garcinia acid,3TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O1875.0Semi standard non polar33892256
Garcinia acid,3TMS,isomer #10C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(O)C(=O)O1845.6Semi standard non polar33892256
Garcinia acid,3TMS,isomer #2C[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1838.5Semi standard non polar33892256
Garcinia acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C1851.2Semi standard non polar33892256
Garcinia acid,3TMS,isomer #4C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O)C(O[Si](C)(C)C)C(=O)O1871.7Semi standard non polar33892256
Garcinia acid,3TMS,isomer #5C[Si](C)(C)OC(=O)C(CC(=O)O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O1876.7Semi standard non polar33892256
Garcinia acid,3TMS,isomer #6C[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O1843.5Semi standard non polar33892256
Garcinia acid,3TMS,isomer #7C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O)C(O)C(=O)O[Si](C)(C)C1831.9Semi standard non polar33892256
Garcinia acid,3TMS,isomer #8C[Si](C)(C)OC(=O)C(O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1855.3Semi standard non polar33892256
Garcinia acid,3TMS,isomer #9C[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)C1816.8Semi standard non polar33892256
Garcinia acid,4TMS,isomer #1C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1852.5Semi standard non polar33892256
Garcinia acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1897.6Semi standard non polar33892256
Garcinia acid,4TMS,isomer #3C[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1885.6Semi standard non polar33892256
Garcinia acid,4TMS,isomer #4C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O1870.2Semi standard non polar33892256
Garcinia acid,4TMS,isomer #5C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)C1891.6Semi standard non polar33892256
Garcinia acid,5TMS,isomer #1C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1913.6Semi standard non polar33892256
Garcinia acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O2071.6Semi standard non polar33892256
Garcinia acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)(CC(=O)O)C(=O)O2052.9Semi standard non polar33892256
Garcinia acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CC(=O)O)(C(=O)O)C(O)C(=O)O2055.1Semi standard non polar33892256
Garcinia acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O)C(=O)O2066.9Semi standard non polar33892256
Garcinia acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC(=O)O)C(O)C(=O)O2055.2Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O)C(=O)O2299.0Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2301.9Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O2313.5Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2288.9Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2298.6Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O2285.0Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O)C(=O)O[Si](C)(C)C(C)(C)C2291.0Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2296.6Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(O)C(=O)O2279.3Semi standard non polar33892256
Garcinia acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2272.6Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O2513.6Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2505.9Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2502.4Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2518.8Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2517.2Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2514.6Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2527.9Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(O)C(=O)O[Si](C)(C)C(C)(C)C2522.8Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2515.2Semi standard non polar33892256
Garcinia acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C2510.8Semi standard non polar33892256
Garcinia acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2724.2Semi standard non polar33892256
Garcinia acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2719.7Semi standard non polar33892256
Garcinia acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2705.1Semi standard non polar33892256
Garcinia acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2724.2Semi standard non polar33892256
Garcinia acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C2731.4Semi standard non polar33892256
Garcinia acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2907.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-001l-6900000000-82f9e2f747bf9ba0fc1d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (5 TMS) - 70eV, Positivesplash10-0ufr-5023930000-9356db701dfe00d4e7d52017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 10V, Positive-QTOFsplash10-0007-0900000000-d165d1fbf5d10c48163e2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 20V, Positive-QTOFsplash10-0j6s-5900000000-4ee16ce3b9d56a2ca3612015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 40V, Positive-QTOFsplash10-0170-7900000000-6f569c1d5f613a2a6b622015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 10V, Negative-QTOFsplash10-00m0-2900000000-b9a0f98a241df82da5012015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 20V, Negative-QTOFsplash10-00li-9800000000-5b6d2e6db6c6b0f80e022015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 40V, Negative-QTOFsplash10-066r-9400000000-a8332dfafaf4e076ff432015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 10V, Negative-QTOFsplash10-029j-6900000000-6c1f6f67746f39850f492021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 20V, Negative-QTOFsplash10-000i-9700000000-03a8a3f221c81a9e4cfa2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 40V, Negative-QTOFsplash10-000i-9000000000-028f59ca098b1389b5db2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 10V, Positive-QTOFsplash10-0a6u-5950000000-f1a067f8aae40f73dab32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 20V, Positive-QTOFsplash10-0a6r-9000000000-ff4b25d03e967f3ff4a32021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Garcinia acid 40V, Positive-QTOFsplash10-0a4i-9000000000-4fe0cf36350cadd82bf62021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003174
KNApSAcK IDNot Available
Chemspider ID110439
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Stohs SJ, Lau FC, Kim D, Kim SU, Bagchi M, Bagchi D: Safety assessment of a calcium-potassium salt of (-)-hydroxycitric acid. Toxicol Mech Methods. 2010 Nov;20(9):515-25. doi: 10.3109/15376516.2010.521207. Epub 2010 Oct 14. [PubMed:20946014 ]
  2. Marquez F, Babio N, Bullo M, Salas-Salvado J: Evaluation of the safety and efficacy of hydroxycitric acid or Garcinia cambogia extracts in humans. Crit Rev Food Sci Nutr. 2012;52(7):585-94. doi: 10.1080/10408398.2010.500551. [PubMed:22530711 ]
  3. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .